2-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)benzenecarbonitrile; iron

Systemtic Name: 2-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)benzenecarbonitrile; iron Openeye Name: 2-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)benzonitrile; iron CAS Name: 2-[2-(1-cyclopenta-2,4-dienyl)prop-1-enyl]benzonitrile; iron IUPAC Name: 2-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)benzonitrile; iron Traditional Name: 2-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)benzonitrile; iron Formula: C30H24FeN2-2 MolecularWeight: 468.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1C#N)[C-]2C=CC=C2.CC(=CC1=CC=CC=C1C#N)[C-]2C=CC=C2.[Fe]

Isomeric SMILES

CC(=CC1=CC=CC=C1C#N)[C-]2C=CC=C2.CC(=CC1=CC=CC=C1C#N)[C-]2C=CC=C2.[Fe]

InChI

InChI=1S/2C15H12N.Fe/c2*1-12(13-6-2-3-7-13)10-14-8-4-5-9-15(14)11-16;/h2*2-10H,1H3;/q2*-1;